BMS-817399


SMILES O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C
InChIKey PTNKPLPRPJERNR-XXBNENTESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 438.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pKi 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 9.0 9.0 9.0 Guide to Pharmacology
CCR1 Q2V0Q7 Dog Chemokine A pIC50 6.2 6.2 6.2 ChEMBL
CCR1 CCR1 Human Chemokine A pIC50 7.38 8.23 9.0 ChEMBL